N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide

C9H17N5O2 — CID 104593436

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
SMILESCC(O)CNCCNC(=O)Cn1ccnn1
InChIInChI=1S/C9H17N5O2/c1-8(15)6-10-2-3-11-9(16)7-14-5-4-12-13-14/h4-5,8,10,15H,2-3,6-7H2,1H3,(H,11,16)
InChIKeyOYPQVHSYNBIEDS-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.64
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide

N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide (PubChem CID 104593436) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
PubChem CID104593436
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
SMILESCC(O)CNCCNC(=O)Cn1ccnn1
InChIInChI=1S/C9H17N5O2/c1-8(15)6-10-2-3-11-9(16)7-14-5-4-12-13-14/h4-5,8,10,15H,2-3,6-7H2,1H3,(H,11,16)
InChIKeyOYPQVHSYNBIEDS-UHFFFAOYSA-N
XLogP-1.64
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 104593785
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
(2S)-2-hydroxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 107834964
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2-hydroxy-3-methoxypropyl)-2-(triazol-1-yl)acetamide
CID 115283363
5-[[2-(triazol-1-yl)acetyl]amino]pentanoic acid
CID 115348185
2-methoxy-3-[[2-(triazol-1-yl)acetyl]amino]propanoic acid
CID 106107864
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
N-(2-amino-2-ethylbutyl)-2-(triazol-1-yl)acetamide
CID 81484813
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(triazol-1-yl)acetamide
CID 113258739
(2R)-3-methyl-2-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81453562
3-ethoxy-4-[[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 114226874

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide (CID 104593436) is N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide is CC(O)CNCCNC(=O)Cn1ccnn1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide?
The InChIKey is OYPQVHSYNBIEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-8(15)6-10-2-3-11-9(16)7-14-5-4-12-13-14/h4-5,8,10,15H,2-3,6-7H2,1H3,(H,11,16).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 104593436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).